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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL683
CHEMBL683
Compound Name CLOFIBRIC ACID
ChEMBL Synonyms CLOFIBRIC ACID | MAGNESIUM CLOFIBRATE | ALUMINIUM CLOFIBRATE | CALCIUM CLOFIBRATE | ALUMINUM CLOFIBRATE
Max Phase 0
Trade Names
Molecular Formula C10H11ClO3

Additional synonyms for CHEMBL683 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)O
Standard InChI InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6 ...
Download InChI
Standard InChI Key TXCGAZHTZHNUAI-UHFFFAOYSA-N

Sources

  • DrugMatrix
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL683

Molecule Features

CHEMBL683 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
CARDIOVASCULAR DISEASESD002318EFO:0000319CARDIOVASCULAR DISEASE4ATC

Clinical Data

ClinicalTrials.gov CLOFIBRIC ACID
The Cochrane Collaboration CLOFIBRIC ACID

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL683. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL239 Peroxisome proliferator-activated receptor alpha Homo sapiens 1.000
CHEMBL2128 Peroxisome proliferator-activated receptor alpha Mus musculus 1.000
CHEMBL3979 Peroxisome proliferator-activated receptor delta Homo sapiens 1.000
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 1.000
CHEMBL3910 11-beta-hydroxysteroid dehydrogenase 1 Mus musculus 0.937
CHEMBL5451 Sodium channel protein type X alpha subunit Homo sapiens 0.909
CHEMBL3590 Hormone sensitive lipase Homo sapiens 0.836
CHEMBL2413 C-C chemokine receptor type 1 Homo sapiens 0.659
CHEMBL1835 Thromboxane-A synthase Homo sapiens 0.477
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.450
CHEMBL4235 11-beta-hydroxysteroid dehydrogenase 1 Homo sapiens 0.217



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL239 Peroxisome proliferator-activated receptor alpha Homo sapiens 1.000
CHEMBL3979 Peroxisome proliferator-activated receptor delta Homo sapiens 1.000
CHEMBL2128 Peroxisome proliferator-activated receptor alpha Mus musculus 1.000
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 1.000
CHEMBL3910 11-beta-hydroxysteroid dehydrogenase 1 Mus musculus 0.974
CHEMBL5451 Sodium channel protein type X alpha subunit Homo sapiens 0.894
CHEMBL3590 Hormone sensitive lipase Homo sapiens 0.800
CHEMBL2458 Peroxisome proliferator-activated receptor delta Mus musculus 0.774
CHEMBL2413 C-C chemokine receptor type 1 Homo sapiens 0.686
CHEMBL1835 Thromboxane-A synthase Homo sapiens 0.435
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.291
CHEMBL4429 Neurokinin 3 receptor Homo sapiens 0.290
CHEMBL2459 Peroxisome proliferator-activated receptor gamma Mus musculus 0.200

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
214.7 214.0397 2.76 3 46.53 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.18 - 2.43 -1.2 1 14 0.84

Structural Alerts

There are no structural alerts for CHEMBL683

Compound Cross References

ATC C - CARDIOVASCULAR SYSTEM
C10 - LIPID MODIFYING AGENTS
C10A - LIPID MODIFYING AGENTS, PLAIN
C10AB - Fibrates
C10AB03 - aluminium clofibrate

ChemSpider ChemSpider:TXCGAZHTZHNUAI-UHFFFAOYSA-N
PubChem SID: 11112452 SID: 11113721 SID: 124882396 SID: 144204037 SID: 144211997 SID: 170466427 SID: 26747130 SID: 26751908 SID: 51085303
Wikipedia Clofibric_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL683



ACToR 882-09-7
Atlas clofibric acid
BindingDB 28699
Brenda 8069 100056 12302
ChEBI 34648
DrugCentral 695
eMolecules 487665
EPA CompTox Dashboard DTXSID1040661
FDA SRS 53PF01Q249
IBM Patent System E45034D0A6585D4A0D3C0A72A8684E36
KEGG Ligand C13700
LINCS LSM-2427
Mcule MCULE-3964453066
Metabolights MTBLC34648
MolPort MolPort-000-146-057
Nikkaji J7.154D
PubChem 2797
PubChem: Thomson Pharma 15390199
SureChEMBL SCHEMBL102826
ZINC ZINC000000001187

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/TXCGAZHTZHNUAI-UHFFFAOYSA-N spacer
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